N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide

C17H17ClN2O2 — CID 97333744

IUPACN-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-14(3-2-9-19-11)17(21)20-15-8-10-22-16(15)12-4-6-13(18)7-5-12/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1
InChIKeySMZNJEQOXCQLOD-JKSUJKDBSA-N
MW316.79 g/mol
LogP3.30
Rot. Bonds3

About N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide

N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide (PubChem CID 97333744) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
PubChem CID97333744
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O2/c1-11-14(3-2-9-19-11)17(21)20-15-8-10-22-16(15)12-4-6-13(18)7-5-12/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1
InChIKeySMZNJEQOXCQLOD-JKSUJKDBSA-N
XLogP3.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]pyridine-4-carboxamide
CID 97256978
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
N-[4-[(4-chlorophenyl)methylcarbamoylamino]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 166834895
2-chloro-N-[(1R,2S)-2-(4-chlorophenyl)cyclopentyl]pyridine-3-carboxamide
CID 125491455
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-methylpyridine-3-carboxamide
CID 113290240
N-cyclohexyl-2-methylpyridine-3-carboxamide
CID 78951017
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
N-[2-(4-chlorophenyl)oxolan-3-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110016794
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyridine-3-carboxamide
CID 78950976
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 97128270
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide (CID 97333744) is N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is SMZNJEQOXCQLOD-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-14(3-2-9-19-11)17(21)20-15-8-10-22-16(15)12-4-6-13(18)7-5-12/h2-7,9,15-16H,8,10H2,1H3,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide?
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 97333744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).